1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane Formula: C23H29N5 MolecularWeight: 375.50986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H29N5/c1-19-23(20(2)28(25-19)22-9-4-3-5-10-22)18-27-13-7-12-26(14-15-27)17-21-8-6-11-24-16-21/h3-6,8-11,16H,7,12-15,17-18H2,1-2H3